Results 181 to 190 of about 24,335,595 (325)

Experimental and Theoretical Confirmation of Covalent Bonding in α‐Pu

open access: yesAdvanced Functional Materials, EarlyView.
From a combination of Reverse Monte Carlo dynamic rigid body fitting to the pair distribution functional and novel density functional approaches, the existence of covalent bonding is confirmed in α‐plutonium alongside other bonding types (i.e. mixed bonding schemes).
Alexander R. Muñoz   +10 more
wiley   +1 more source

Evaluation of large language models within GenAI in qualitative research. [PDF]

open access: yesSci Rep
Mehta SD   +8 more
europepmc   +1 more source

Machine Learning‐Enabled Polymer Discovery for Enhanced Pulmonary siRNA Delivery

open access: yesAdvanced Functional Materials, EarlyView.
This study provides an efficient approach to train a machine learning model by merging heterogeneous literature data to predict suitable polymers for siRNA delivery. Without the need for extensive laboratory synthesis, the machine learning enabled a virtual screening and successfully predicted a polymer that is validated for effective gene silencing in
Felix Sieber‐Schäfer   +10 more
wiley   +1 more source

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

open access: yesAdvanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong   +3 more
wiley   +1 more source

Hydrogen Production by Solar Photoreforming of Urban Wastewaters in Thin‐Layer Flat Catalytic Panels

open access: yesAdvanced Functional Materials, EarlyView.
This study demonstrates effective hydrogen production and organic pollutant removal from real urban wastewater using solar photoreforming with a Pt/TiO2 photocatalyst. Tested at lab scale and a pre‐pilot flat catalytic panel reactor under natural sunlight, the process showed sustained activity, pollutant degradation, and hydrogen evolution over nearly ...
Laura C. Valencia‐Valero   +5 more
wiley   +1 more source

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